methyl 5-bromanyl-2-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: methyl 5-bromanyl-2-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: methyl 5-bromo-2-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 5-bromo-2-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 5-bromo-2-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoic acid methyl ester Formula: C14H20BrN2O4S+ MolecularWeight: 392.2886

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C14H19BrN2O4S/c1-3-16-6-8-17(9-7-16)22(19,20)13-5-4-11(15)10-12(13)14(18)21-2/h4-5,10H,3,6-9H2,1-2H3/p+1